Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L2JS6G
|
|||
| Ligand Name |
{(3S)-7-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone
|
|||
| Synonyms |
{(3S)-7-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone; SCHEMBL4574923; BDBM586503; BHJ
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C37H45ClN6O4S
|
|||
| Canonical SMILES |
CS(=O)(=O)N1CCC2=C(C1)C(=NN2CCCN3CCOCC3)C4=CC(=C(C=C4)Cl)C#CC5=CC6=C(CC(NC6)C(=O)N7CCCCC7)C=C5
|
|||
| InChI |
1S/C37H45ClN6O4S/c1-49(46,47)43-17-12-35-32(26-43)36(40-44(35)16-5-13-41-18-20-48-21-19-41)30-10-11-33(38)29(23-30)9-7-27-6-8-28-24-34(39-25-31(28)22-27)37(45)42-14-3-2-4-15-42/h6,8,10-11,22-23,34,39H,2-5,12-21,24-26H2,1H3/t34-/m0/s1
|
|||
| InChIKey |
BIYANWMTXPESQI-UMSFTDKQSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.